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Compound Detail

CHEMBL566727

PTERIN-6-CARBOXYLIC ACID
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Nc1nc2ncc(C(=O)O)nc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL566727
Name PTERIN-6-CARBOXYLIC ACID
Phase Preclinical
Structure Type MOL
InChI Key QABAUCFGPWONOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
-1.01
ALogP
6
HBA
3
HBD
134.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H5N5O3
MW 207.15
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
19899766 10.1021/jm900861d Dihydropteroate synthase 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
27666634 10.1016/j.bmcl.2016.09.033 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine